Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qak_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A N ASP 67.A OD1 no hydrogen 3.400 N/A VAL 3.A N VAL 65.A O no hydrogen 2.897 N/A MET 5.A N ALA 63.A O no hydrogen 2.857 N/A THR 8.A N PRO 4.A O no hydrogen 2.926 N/A THR 8.A OG1 PRO 4.A O no hydrogen 2.725 N/A LEU 9.A N MET 5.A O no hydrogen 2.779 N/A LYS 10.A N ASP 6.A O no hydrogen 2.873 N/A GLU 11.A N LYS 7.A O no hydrogen 3.041 N/A PHE 12.A N THR 8.A O no hydrogen 3.020 N/A GLY 13.A N LYS 10.A O no hydrogen 2.938 N/A ALA 14.A N LEU 9.A O no hydrogen 3.048 N/A ASP 15.A N ILE 28.A O no hydrogen 2.731 N/A GLN 17.A N THR 26.A O no hydrogen 2.779 N/A ASP 19.A N LEU 24.A O no hydrogen 2.784 N/A ALA 22.A N ASP 19.A OD1 no hydrogen 3.003 N/A GLN 23.A NE2 ASP 20.A O no hydrogen 2.868 N/A LEU 24.A N ASP 19.A O no hydrogen 2.952 N/A PHE 25.A N VAL 36.A O no hydrogen 2.897 N/A THR 26.A N GLN 17.A O no hydrogen 2.785 N/A LEU 27.A N VAL 34.A O no hydrogen 2.762 N/A ILE 28.A N ASP 15.A O no hydrogen 2.939 N/A LYS 29.A N ALA 32.A O no hydrogen 3.062 N/A LYS 29.A NZ PHE 12.A O no hydrogen 2.833 N/A ALA 32.A N LYS 29.A O no hydrogen 3.023 N/A VAL 34.A N LEU 27.A O no hydrogen 2.804 N/A LYS 35.A N ILE 44.A O no hydrogen 2.933 N/A VAL 36.A N PHE 25.A O no hydrogen 3.042 N/A GLY 39.A N VAL 56.A O no hydrogen 2.828 N/A ALA 40.A N LYS 37.A O no hydrogen 2.977 N/A ALA 43.A N LEU 50.A O no hydrogen 2.900 N/A ILE 44.A N LYS 35.A O no hydrogen 2.769 N/A VAL 45.A N GLN 48.A O no hydrogen 2.680 N/A ASN 46.A N TYR 33.A O no hydrogen 2.853 N/A ASN 46.A ND2 GLY 31.A O no hydrogen 3.316 N/A ASN 46.A ND2 TYR 33.A O no hydrogen 3.330 N/A GLN 48.A N VAL 45.A O no hydrogen 2.864 N/A LEU 50.A N ALA 43.A O no hydrogen 2.964 N/A LEU 52.A N GLN 41.A O no hydrogen 2.853 N/A VAL 57.A N TRP 64.A O no hydrogen 2.977 N/A LYS 59.A N LYS 62.A O no hydrogen 2.736 N/A LYS 62.A N LYS 59.A O no hydrogen 2.825 N/A TRP 64.A N VAL 57.A O no hydrogen 2.829 N/A VAL 65.A N VAL 3.A O no hydrogen 2.935 N/A THR 68.A N SER 66.A OG no hydrogen 2.923 N/A THR 68.A OG1 ASP 72.A OD1 no hydrogen 2.866 N/A THR 68.A OG1 ASP 72.A OD2 no hydrogen 2.656 N/A PHE 69.A N SER 66.A O no hydrogen 3.220 N/A ASP 72.A N THR 68.A O no hydrogen 2.770 N/A VAL 73.A N PHE 69.A O no hydrogen 2.692 N/A PHE 74.A N ILE 70.A O no hydrogen 2.823 N/A GLN 75.A N ASN 71.A O no hydrogen 3.014 N/A SER 76.A N VAL 73.A O no hydrogen 3.408 N/A SER 76.A OG VAL 73.A O no hydrogen 2.837 N/A LEU 78.A N SER 76.A OG no hydrogen 3.087 N/A THR 81.A N ASP 79.A OD1 no hydrogen 3.039 N/A THR 81.A OG1 ASP 79.A OD1 no hydrogen 2.561 N/A GLN 83.A N ILE 313.A O no hydrogen 2.985 N/A GLN 83.A NE2 GLN 80.A O no hydrogen 2.763 N/A HIS 89.A N GLU 85.A OE2 no hydrogen 2.915 N/A HIS 89.A NE2 THR 339.A OG1 no hydrogen 3.176 N/A LEU 91.A N HIS 89.A ND1 no hydrogen 3.093 N/A ASN 92.A N HIS 89.A O no hydrogen 3.105 N/A ASN 92.A ND2 HIS 326.A NE2 no hydrogen 2.809 N/A THR 95.A N GLU 98.A OE1 no hydrogen 2.888 N/A THR 95.A OG1 GLU 98.A OE1 no hydrogen 3.496 N/A GLU 98.A N THR 95.A OG1 no hydrogen 3.169 N/A ILE 99.A N THR 95.A O no hydrogen 2.981 N/A LYS 100.A N ALA 96.A O no hydrogen 2.990 N/A GLN 101.A N ASP 97.A O no hydrogen 2.815 N/A GLN 101.A NE2 LEU 164.A O no hydrogen 2.460 N/A GLN 101.A NE2 ASN 167.A OD1 no hydrogen 3.154 N/A ALA 102.A N GLU 98.A O no hydrogen 2.727 N/A VAL 103.A N ILE 99.A O no hydrogen 3.007 N/A GLU 104.A N LYS 100.A O no hydrogen 3.007 N/A ILE 105.A N GLN 101.A O no hydrogen 3.028 N/A VAL 106.A N ALA 102.A O no hydrogen 3.097 N/A LYS 107.A N VAL 103.A O no hydrogen 2.862 N/A ALA 108.A N ILE 105.A O no hydrogen 3.199 N/A SER 109.A N VAL 106.A O no hydrogen 3.231 N/A ASP 111.A N SER 109.A OG no hydrogen 2.890 N/A PHE 112.A N SER 109.A O no hydrogen 3.151 N/A THR 116.A N LYS 113.A O no hydrogen 3.051 N/A THR 116.A OG1 LYS 113.A O no hydrogen 2.762 N/A ARG 117.A N LEU 152.A O no hydrogen 2.781 N/A ARG 117.A NH1 ASP 185.A OD1 no hydrogen 2.755 N/A ARG 117.A NH1 ASP 186.A OD1 no hydrogen 3.024 N/A ARG 117.A NH2 GLY 154.A O no hydrogen 3.043 N/A PHE 118.A N TYR 411.A O no hydrogen 2.749 N/A THR 119.A N ILE 150.A O no hydrogen 2.949 N/A THR 119.A OG1 ILE 150.A O no hydrogen 3.414 N/A GLU 120.A N ILE 150.A O no hydrogen 3.447 N/A SER 122.A N ASP 148.A O no hydrogen 3.061 N/A SER 122.A OG GLU 120.A OE2 no hydrogen 2.838 N/A LEU 124.A N LYS 146.A O no hydrogen 2.902 N/A LYS 128.A NZ ASP 527.A OD1 no hydrogen 3.140 N/A LYS 128.A NZ ASP 527.A OD2 no hydrogen 2.706 N/A LYS 128.A NZ ASP 529.A OD1 no hydrogen 2.927 N/A LYS 128.A NZ ASP 529.A OD2 no hydrogen 3.161 N/A LYS 128.A NZ ASP 672.A OD1 no hydrogen 3.064 N/A LYS 128.A NZ ASP 672.A OD2 no hydrogen 2.722 N/A ALA 130.A N ASP 127.A OD1 no hydrogen 2.988 N/A VAL 131.A N ASP 127.A O no hydrogen 3.078 N/A TRP 132.A N LYS 128.A O no hydrogen 2.873 N/A TRP 132.A NE1 ASP 529.A OD2 no hydrogen 2.711 N/A ALA 133.A N GLU 129.A O no hydrogen 3.018 N/A PHE 134.A N ALA 130.A O no hydrogen 3.040 N/A PHE 134.A N VAL 131.A O no hydrogen 2.899 N/A ALA 135.A N VAL 131.A O no hydrogen 3.005 N/A LEU 136.A N TRP 132.A O no hydrogen 2.877 N/A GLU 137.A N ALA 133.A O no hydrogen 2.856 N/A ASN 138.A N PHE 134.A O no hydrogen 3.009 N/A LYS 139.A N ALA 133.A O no hydrogen 3.062 N/A GLN 143.A NE2 ASP 127.A OD2 no hydrogen 3.067 N/A ARG 145.A NE GLU 98.A OE2 no hydrogen 2.714 N/A ARG 145.A NH1 ASN 92.A O no hydrogen 2.872 N/A ARG 145.A NH2 ASN 92.A O no hydrogen 3.176 N/A ARG 145.A NH2 ALA 93.A O no hydrogen 3.129 N/A ARG 145.A NH2 GLU 98.A OE1 no hydrogen 2.749 N/A ARG 145.A NH2 GLU 98.A OE2 no hydrogen 3.480 N/A LYS 146.A NZ PRO 144.A O no hydrogen 2.909 N/A ALA 147.A N VAL 162.A O no hydrogen 2.922 N/A ASP 148.A N SER 122.A O no hydrogen 2.700 N/A VAL 149.A N ALA 160.A O no hydrogen 2.829 N/A ILE 150.A N GLU 120.A O no hydrogen 2.722 N/A MET 151.A N ILE 158.A O no hydrogen 2.837 N/A LEU 152.A N ARG 117.A O no hydrogen 2.689 N/A ASP 153.A N HIS 156.A O no hydrogen 2.775 N/A LYS 155.A NZ ASP 234.A O no hydrogen 2.746 N/A LYS 155.A NZ ASP 234.A OD2 no hydrogen 3.181 N/A HIS 156.A N ASP 153.A O no hydrogen 3.032 N/A ILE 158.A N MET 151.A O no hydrogen 2.985 N/A GLU 159.A N GLN 173.A O no hydrogen 2.861 N/A ALA 160.A N VAL 149.A O no hydrogen 2.771 N/A VAL 161.A N SER 171.A O no hydrogen 3.024 N/A VAL 162.A N ALA 147.A O no hydrogen 2.927 N/A ASP 163.A N LYS 168.A O no hydrogen 2.757 N/A LEU 164.A N ARG 145.A O no hydrogen 2.875 N/A ASN 166.A N ASP 163.A OD1 no hydrogen 2.644 N/A ASN 166.A ND2 ASP 163.A OD2 no hydrogen 2.642 N/A LYS 168.A N ASP 163.A O no hydrogen 3.126 N/A LEU 170.A N VAL 161.A O no hydrogen 2.711 N/A SER 171.A N VAL 161.A O no hydrogen 3.312 N/A GLN 173.A N GLU 159.A O no hydrogen 2.786 N/A GLN 173.A NE2 PRO 174.A O no hydrogen 3.227 N/A ILE 175.A N ILE 157.A O no hydrogen 2.666 N/A LYS 176.A NZ ASP 177.A OD2 no hydrogen 2.955 N/A ALA 178.A N ILE 175.A O no hydrogen 3.433 N/A VAL 182.A N ASP 381.A O no hydrogen 2.749 N/A LEU 183.A N ASP 186.A OD2 no hydrogen 2.935 N/A ASP 186.A N LEU 183.A O no hydrogen 2.839 N/A PHE 187.A N LEU 184.A O no hydrogen 2.995 N/A SER 189.A N ASP 185.A O no hydrogen 2.848 N/A SER 189.A OG ASP 185.A O no hydrogen 3.060 N/A VAL 190.A N ASP 186.A O no hydrogen 3.045 N/A GLN 191.A N PHE 187.A O no hydrogen 3.204 N/A GLN 191.A NE2 VAL 215.A O no hydrogen 3.663 N/A ASN 192.A N ALA 188.A O no hydrogen 2.973 N/A ILE 193.A N SER 189.A O no hydrogen 2.767 N/A ILE 194.A N VAL 190.A O no hydrogen 2.942 N/A ASN 195.A N GLN 191.A O no hydrogen 2.814 N/A ASN 195.A ND2 GLN 191.A OE1 no hydrogen 2.908 N/A ASN 196.A N ASN 192.A O no hydrogen 2.913 N/A SER 197.A N ILE 194.A O no hydrogen 2.919 N/A GLU 199.A N GLU 198.A OE2 no hydrogen 2.924 N/A PHE 200.A N SER 197.A OG no hydrogen 2.877 N/A ALA 201.A N SER 197.A O no hydrogen 2.839 N/A ALA 202.A N GLU 198.A O no hydrogen 3.026 N/A ALA 203.A N GLU 199.A O no hydrogen 3.017 N/A VAL 204.A N PHE 200.A O no hydrogen 2.963 N/A LYS 205.A N ALA 201.A O no hydrogen 2.894 N/A LYS 205.A NZ LYS 205.A O no hydrogen 2.737 N/A LYS 206.A N ALA 202.A O no hydrogen 3.041 N/A ARG 207.A N ALA 203.A O no hydrogen 3.265 N/A ARG 207.A N VAL 204.A O no hydrogen 3.014 N/A ARG 207.A NH1 GLY 276.A O no hydrogen 3.297 N/A ARG 207.A NH1 PRO 277.A O no hydrogen 3.275 N/A ARG 207.A NH2 GLY 276.A O no hydrogen 2.886 N/A GLY 208.A N LYS 205.A O no hydrogen 3.144 N/A ILE 209.A N VAL 204.A O no hydrogen 3.330 N/A LYS 213.A N ASP 211.A OD1 no hydrogen 2.881 N/A LYS 214.A N ASP 211.A O no hydrogen 3.000 N/A VAL 215.A N ALA 212.A O no hydrogen 3.289 N/A ILE 216.A N TYR 243.A O no hydrogen 2.668 N/A THR 218.A N ILE 241.A O no hydrogen 3.053 N/A LEU 220.A N LYS 239.A O no hydrogen 2.668 N/A THR 221.A OG1 ASP 381.A OD2 no hydrogen 2.941 N/A LYS 228.A N PHE 225.A O no hydrogen 2.858 N/A GLY 230.A N GLY 227.A O no hydrogen 2.739 N/A LEU 231.A N ASP 229.A OD1 no hydrogen 3.011 N/A GLN 233.A NE2 ARG 651.A O no hydrogen 2.965 N/A ARG 236.A NH1 GLY 180.A O no hydrogen 2.813 N/A ARG 236.A NH2 MET 181.A O no hydrogen 2.822 N/A ARG 236.A NH2 ASP 186.A OD2 no hydrogen 2.899 N/A LEU 238.A N VAL 263.A O no hydrogen 2.972 N/A LYS 239.A N LEU 220.A O no hydrogen 2.811 N/A VAL 240.A N ALA 261.A O no hydrogen 2.677 N/A ILE 241.A N THR 218.A O no hydrogen 3.090 N/A TYR 243.A N ILE 216.A O no hydrogen 2.976 N/A LEU 244.A N HIS 254.A O no hydrogen 2.895 N/A ASP 245.A N LYS 214.A O no hydrogen 2.666 N/A GLY 247.A N ASP 245.A OD1 no hydrogen 2.742 N/A ASN 250.A N ASP 248.A OD1 no hydrogen 2.785 N/A ASN 250.A ND2 ARG 286.A O no hydrogen 2.864 N/A ALA 253.A N ASN 250.A O no hydrogen 2.964 N/A HIS 254.A N TYR 251.A O no hydrogen 2.801 N/A HIS 254.A ND1 PRO 282.A O no hydrogen 2.753 N/A HIS 254.A NE2 ASP 248.A OD2 no hydrogen 2.542 N/A ILE 256.A N SER 242.A O no hydrogen 3.020 N/A VAL 260.A N GLU 274.A O no hydrogen 2.993 N/A ALA 261.A N VAL 240.A O no hydrogen 3.218 N/A VAL 262.A N LYS 272.A O no hydrogen 2.759 N/A VAL 263.A N LEU 238.A O no hydrogen 2.779 N/A ASP 264.A N LYS 269.A O no hydrogen 3.030 N/A LEU 265.A N ARG 236.A O no hydrogen 3.078 N/A GLU 266.A N ASP 264.A OD1 no hydrogen 2.907 N/A GLN 267.A N ASP 264.A OD1 no hydrogen 3.047 N/A LYS 268.A N ASP 264.A O no hydrogen 2.529 N/A LYS 269.A N ASP 264.A O no hydrogen 3.319 N/A LYS 269.A NZ ILE 270.A O no hydrogen 2.447 N/A VAL 271.A N VAL 262.A O no hydrogen 2.806 N/A LYS 272.A NZ ASP 229.A O no hydrogen 2.574 N/A GLU 274.A N VAL 260.A O no hydrogen 2.726 N/A GLY 276.A N ASN 258.A O no hydrogen 2.564 N/A ARG 286.A N ASP 248.A OD2 no hydrogen 2.917 N/A ARG 286.A NE ASP 510.A OD2 no hydrogen 2.829 N/A ARG 286.A NH2 ASP 510.A OD1 no hydrogen 3.152 N/A ARG 291.A N ASP 289.A OD1 no hydrogen 3.077 N/A ARG 291.A NE ASP 289.A OD1 no hydrogen 2.843 N/A ARG 291.A NE ASP 289.A OD2 no hydrogen 3.373 N/A ARG 291.A NH2 ASP 289.A OD2 no hydrogen 2.772 N/A ARG 293.A N GLY 290.A O no hydrogen 2.950 N/A ARG 293.A NE ASP 292.A OD2 no hydrogen 3.438 N/A GLY 308.A N GLU 305.A O no hydrogen 2.981 N/A LYS 309.A NZ GLU 305.A OE2 no hydrogen 2.660 N/A LYS 309.A NZ ASN 400.A O no hydrogen 2.925 N/A THR 312.A N HIS 319.A O no hydrogen 2.957 N/A ILE 313.A N THR 81.A O no hydrogen 2.842 N/A THR 314.A N MET 317.A O no hydrogen 2.738 N/A MET 317.A N THR 314.A O no hydrogen 2.859 N/A ILE 318.A N PHE 325.A O no hydrogen 2.863 N/A HIS 319.A N THR 312.A O no hydrogen 2.911 N/A TRP 320.A N TRP 323.A O no hydrogen 3.014 N/A TRP 320.A NE1 GLU 426.A OE1 no hydrogen 2.956 N/A TRP 323.A N TRP 320.A O no hydrogen 2.815 N/A TRP 323.A NE1 HIS 469.A O no hydrogen 2.685 N/A ASP 324.A N THR 341.A O no hydrogen 3.247 N/A PHE 325.A N ILE 318.A O no hydrogen 3.089 N/A HIS 326.A N SER 338.A O no hydrogen 2.712 N/A LEU 327.A N ASP 316.A O no hydrogen 2.942 N/A SER 328.A N MET 336.A O no hydrogen 2.946 N/A ASN 330.A N GLY 334.A O no hydrogen 2.870 N/A ASN 330.A ND2 GLU 120.A OE2 no hydrogen 3.095 N/A ARG 332.A N ASN 330.A OD1 no hydrogen 2.812 N/A ARG 332.A NH1 LYS 647.A O no hydrogen 2.924 N/A ARG 332.A NH2 GLU 645.A OE2 no hydrogen 3.116 N/A ARG 332.A NH2 GLY 646.A O no hydrogen 3.030 N/A VAL 333.A N ASN 330.A OD1 no hydrogen 3.000 N/A GLY 334.A N ASN 330.A O no hydrogen 2.930 N/A MET 336.A N SER 328.A O no hydrogen 2.817 N/A ILE 337.A N GLY 355.A O no hydrogen 2.904 N/A SER 338.A N HIS 326.A O no hydrogen 2.726 N/A THR 339.A N TYR 353.A O no hydrogen 2.809 N/A THR 339.A OG1 HIS 89.A NE2 no hydrogen 3.176 N/A VAL 340.A N MET 352.A O no hydrogen 2.727 N/A THR 341.A N ASP 324.A O no hydrogen 3.010 N/A TYR 342.A N ARG 349.A O no hydrogen 2.839 N/A TYR 342.A OH GLU 470.A O no hydrogen 2.859 N/A ASN 343.A N ASN 322.A O no hydrogen 2.625 N/A ASP 344.A N THR 347.A O no hydrogen 2.937 N/A THR 347.A N ASP 344.A O no hydrogen 3.001 N/A ARG 349.A N TYR 342.A O no hydrogen 2.797 N/A ARG 349.A NE ASP 531.A OD1 no hydrogen 3.454 N/A ARG 349.A NE ASP 531.A OD2 no hydrogen 3.059 N/A ARG 349.A NH1 ASP 344.A OD2 no hydrogen 2.845 N/A ARG 349.A NH1 PHE 707.A O no hydrogen 2.956 N/A ARG 349.A NH2 ASP 531.A OD2 no hydrogen 2.828 N/A ARG 349.A NH2 PHE 707.A O no hydrogen 2.905 N/A LYS 350.A NZ GLU 533.A OE1 no hydrogen 2.623 N/A VAL 351.A N VAL 340.A O no hydrogen 2.983 N/A MET 352.A N VAL 340.A O no hydrogen 3.295 N/A TYR 353.A N ASP 527.A O no hydrogen 2.919 N/A GLY 355.A N ILE 337.A O no hydrogen 2.840 N/A SER 356.A N ARG 525.A O no hydrogen 3.012 N/A SER 356.A OG LEU 357.A O no hydrogen 2.878 N/A GLY 358.A N ASN 523.A O no hydrogen 2.651 N/A GLY 359.A N ASN 523.A O no hydrogen 3.145 N/A ILE 361.A N ILE 521.A O no hydrogen 2.865 N/A VAL 362.A N TYR 376.A O no hydrogen 2.954 N/A TYR 364.A N LYS 374.A O no hydrogen 3.098 N/A GLY 365.A N THR 517.A O no hydrogen 3.048 N/A ASP 368.A N ASP 366.A OD1 no hydrogen 2.805 N/A TRP 371.A N ASP 368.A O no hydrogen 3.036 N/A TRP 371.A NE1 GLU 257.A OE2 no hydrogen 2.820 N/A TYR 372.A N ASP 368.A O no hydrogen 2.857 N/A LYS 374.A N TRP 371.A O no hydrogen 2.743 N/A TYR 376.A N VAL 362.A O no hydrogen 3.230 N/A ASP 381.A N LEU 377.A O no hydrogen 2.859 N/A TYR 382.A N ALA 378.A O no hydrogen 3.202 N/A TYR 382.A OH PRO 219.A O no hydrogen 2.940 N/A GLY 383.A N SER 379.A O no hydrogen 2.920 N/A MET 384.A N ARG 332.A O no hydrogen 3.098 N/A THR 386.A N SER 331.A O no hydrogen 3.053 N/A THR 386.A OG1 SER 331.A O no hydrogen 3.567 N/A LEU 387.A N GLY 383.A O no hydrogen 2.989 N/A THR 388.A N GLY 385.A O no hydrogen 3.025 N/A THR 388.A OG1 GLY 385.A O no hydrogen 2.529 N/A SER 389.A N ILE 455.A O no hydrogen 2.848 N/A SER 389.A OG THR 457.A OG1 no hydrogen 2.594 N/A ILE 391.A N ARG 420.A O no hydrogen 2.807 N/A ALA 392.A N ASP 396.A OD2 no hydrogen 2.791 N/A ARG 393.A NH1 ASP 30.A OD1 no hydrogen 2.808 N/A LYS 395.A N ALA 392.A O no hydrogen 3.083 N/A ASP 396.A N ALA 392.A O no hydrogen 3.030 N/A ASN 400.A ND2 GLU 305.A OE2 no hydrogen 2.981 N/A ASN 400.A ND2 GLU 426.A O no hydrogen 2.911 N/A ALA 401.A N PRO 398.A O no hydrogen 3.005 N/A VAL 402.A N VAL 424.A O no hydrogen 2.825 N/A LEU 403.A N ASP 30.A OD1 no hydrogen 2.821 N/A LEU 404.A N ILE 422.A O no hydrogen 2.823 N/A GLU 406.A N ILE 418.A O no hydrogen 3.105 N/A ILE 408.A N MET 416.A O no hydrogen 3.111 N/A ASP 410.A N VAL 414.A O no hydrogen 2.853 N/A THR 412.A N ASP 410.A OD1 no hydrogen 2.775 N/A THR 412.A OG1 ASP 410.A OD1 no hydrogen 2.823 N/A GLY 413.A N ASP 410.A O no hydrogen 2.915 N/A VAL 414.A N ASP 410.A OD1 no hydrogen 3.054 N/A MET 416.A N ILE 408.A O no hydrogen 2.717 N/A ILE 418.A N GLU 406.A O no hydrogen 2.666 N/A ARG 420.A N ASN 405.A OD1 no hydrogen 2.979 N/A ARG 420.A NE ILE 391.A O no hydrogen 2.845 N/A ILE 422.A N LEU 404.A O no hydrogen 3.312 N/A ALA 423.A N ARG 453.A O no hydrogen 2.790 N/A VAL 424.A N VAL 402.A O no hydrogen 2.931 N/A PHE 425.A N VAL 451.A O no hydrogen 2.916 N/A ARG 427.A N GLU 449.A O no hydrogen 2.820 N/A ARG 427.A NE GLU 449.A OE1 no hydrogen 2.822 N/A ARG 427.A NH2 GLU 449.A OE1 no hydrogen 3.128 N/A ALA 429.A N ARG 447.A O no hydrogen 2.814 N/A GLU 432.A N THR 445.A O no hydrogen 2.698 N/A HIS 435.A N VAL 443.A O no hydrogen 2.900 N/A HIS 435.A NE2 GLU 437.A OE1 no hydrogen 2.696 N/A GLN 436.A NE2 GLU 437.A O no hydrogen 3.198 N/A GLN 436.A NE2 GLN 440.A O no hydrogen 2.817 N/A GLN 440.A N GLU 437.A O no hydrogen 2.915 N/A ASN 442.A ND2 HIS 435.A O no hydrogen 3.598 N/A VAL 443.A N HIS 435.A O no hydrogen 3.123 N/A SER 444.A OG ASN 442.A OD1 no hydrogen 2.910 N/A THR 445.A N TYR 433.A O no hydrogen 3.251 N/A ARG 447.A N GLY 430.A O no hydrogen 2.729 N/A ARG 447.A NE GLU 432.A OE1 no hydrogen 2.622 N/A ARG 447.A NH2 GLU 432.A O no hydrogen 3.240 N/A ARG 447.A NH2 GLU 432.A OE1 no hydrogen 3.390 N/A ARG 448.A NE GLU 446.A OE2 no hydrogen 2.698 N/A ARG 448.A NH1 GLU 426.A OE2 no hydrogen 2.755 N/A ARG 448.A NH2 GLU 446.A OE2 no hydrogen 3.087 N/A GLU 449.A N ARG 427.A O no hydrogen 2.936 N/A LEU 450.A N PHE 468.A O no hydrogen 2.962 N/A VAL 451.A N PHE 425.A O no hydrogen 2.797 N/A VAL 452.A N TRP 466.A O no hydrogen 2.986 N/A ARG 453.A N ALA 423.A O no hydrogen 2.707 N/A ARG 453.A NE ASP 465.A OD1 no hydrogen 2.558 N/A ARG 453.A NH1 ASP 396.A O no hydrogen 2.797 N/A ARG 453.A NH2 ASP 465.A OD2 no hydrogen 2.866 N/A TRP 454.A N PHE 464.A O no hydrogen 2.961 N/A TRP 454.A NE1 THR 388.A OG1 no hydrogen 2.961 N/A SER 456.A N TYR 462.A O no hydrogen 2.823 N/A SER 456.A OG MET 384.A O no hydrogen 2.746 N/A THR 457.A N LEU 387.A O no hydrogen 3.278 N/A THR 457.A OG1 SER 389.A OG no hydrogen 2.594 N/A THR 457.A OG1 ASP 461.A OD2 no hydrogen 2.597 N/A ASN 460.A ND2 ILE 483.A O no hydrogen 2.855 N/A TYR 462.A N SER 456.A O no hydrogen 2.772 N/A TYR 462.A OH HIS 520.A ND1 no hydrogen 3.309 N/A ILE 463.A N GLY 479.A O no hydrogen 2.879 N/A PHE 464.A N TRP 454.A O no hydrogen 2.769 N/A ASP 465.A N ASP 477.A O no hydrogen 2.864 N/A TRP 466.A N VAL 452.A O no hydrogen 2.884 N/A ILE 467.A N GLY 475.A O no hydrogen 2.725 N/A PHE 468.A N LEU 450.A O no hydrogen 2.741 N/A HIS 469.A N THR 473.A O no hydrogen 2.893 N/A GLY 472.A N HIS 469.A O no hydrogen 3.038 N/A ILE 474.A N LEU 702.A O no hydrogen 2.826 N/A GLY 475.A N ILE 467.A O no hydrogen 2.747 N/A ILE 476.A N THR 700.A O no hydrogen 3.189 N/A ASP 477.A N ASP 465.A O no hydrogen 2.821 N/A ALA 478.A N VAL 698.A O no hydrogen 3.080 N/A GLY 479.A N ILE 463.A O no hydrogen 2.647 N/A ALA 480.A N GLU 696.A O no hydrogen 2.713 N/A THR 481.A N ASP 461.A O no hydrogen 2.942 N/A THR 481.A OG1 MET 693.A O no hydrogen 2.531 N/A GLY 482.A N THR 481.A OG1 no hydrogen 2.698 N/A ILE 483.A N ASN 460.A O no hydrogen 2.998 N/A LYS 487.A N VAL 514.A O no hydrogen 2.882 N/A LYS 487.A NZ ASP 366.A OD1 no hydrogen 3.370 N/A LYS 487.A NZ ASP 366.A OD2 no hydrogen 2.574 N/A LYS 487.A NZ ASP 368.A OD2 no hydrogen 2.769 N/A GLY 488.A N GLU 257.A OE1 no hydrogen 2.945 N/A VAL 489.A N ASN 512.A O no hydrogen 2.850 N/A ALA 491.A N ASP 502.A OD2 no hydrogen 2.960 N/A LYS 492.A N ASP 496.A OD2 no hydrogen 2.715 N/A THR 493.A N ASP 496.A OD2 no hydrogen 3.025 N/A HIS 495.A N THR 493.A OG1 no hydrogen 3.011 N/A ASP 496.A N THR 493.A O no hydrogen 3.150 N/A THR 498.A OG1 ASP 502.A OD2 no hydrogen 2.634 N/A ALA 499.A N ASP 496.A O no hydrogen 2.938 N/A ASP 502.A N THR 498.A O no hydrogen 2.702 N/A THR 503.A N ALA 499.A O no hydrogen 3.096 N/A THR 503.A OG1 ALA 499.A O no hydrogen 2.805 N/A THR 503.A OG1 LYS 500.A O no hydrogen 3.457 N/A ARG 504.A N ASP 501.A O no hydrogen 3.258 N/A ARG 504.A NH2 ASP 501.A OD1 no hydrogen 2.853 N/A GLY 506.A N THR 503.A O no hydrogen 3.354 N/A THR 507.A OG1 ALA 685.A O no hydrogen 2.649 N/A ILE 509.A N ILE 513.A O no hydrogen 2.993 N/A ASP 510.A N ILE 513.A O no hydrogen 3.387 N/A HIS 511.A N ASP 510.A OD1 no hydrogen 2.857 N/A ASN 512.A N ALA 491.A O no hydrogen 2.887 N/A ASN 512.A ND2 VAL 489.A O no hydrogen 2.953 N/A ILE 513.A N ASP 510.A O no hydrogen 2.948 N/A VAL 514.A N LYS 487.A O no hydrogen 3.146 N/A GLY 515.A N THR 507.A O no hydrogen 2.904 N/A THR 517.A N TYR 505.A O no hydrogen 2.816 N/A THR 517.A OG1 TYR 505.A O no hydrogen 3.303 N/A HIS 518.A N HIS 683.A O no hydrogen 3.406 N/A HIS 518.A ND1 THR 516.A O no hydrogen 2.687 N/A GLN 519.A N PRO 363.A O no hydrogen 3.186 N/A HIS 520.A N THR 681.A O no hydrogen 2.988 N/A ILE 521.A N ILE 361.A O no hydrogen 2.897 N/A TYR 522.A N THR 679.A O no hydrogen 2.777 N/A ASN 523.A N GLY 359.A O no hydrogen 2.910 N/A PHE 524.A N MET 677.A O no hydrogen 3.000 N/A ARG 525.A N SER 356.A O no hydrogen 2.974 N/A ARG 525.A NE GLU 641.A O no hydrogen 3.136 N/A LEU 526.A N VAL 675.A O no hydrogen 2.725 N/A ASP 527.A N GLU 354.A O no hydrogen 2.683 N/A LEU 528.A N LEU 526.A O no hydrogen 2.765 N/A ASP 529.A N VAL 351.A O no hydrogen 2.816 N/A ASP 531.A N LYS 350.A O no hydrogen 2.905 N/A ASN 535.A N THR 671.A O no hydrogen 3.048 N/A SER 536.A N SER 583.A O no hydrogen 2.843 N/A VAL 538.A N LEU 581.A O no hydrogen 2.797 N/A ALA 539.A N TYR 562.A O no hydrogen 2.779 N/A MET 540.A N ILE 579.A O no hydrogen 3.014 N/A ASP 541.A N ASN 560.A O no hydrogen 2.789 N/A VAL 543.A N GLN 558.A O no hydrogen 2.727 N/A LYS 545.A N THR 556.A O no hydrogen 2.871 N/A ASN 547.A N THR 554.A O no hydrogen 2.825 N/A ARG 553.A NE SER 555.A O no hydrogen 3.298 N/A THR 556.A N LYS 545.A O no hydrogen 2.714 N/A THR 556.A OG1 LYS 545.A O no hydrogen 3.231 N/A GLN 558.A N VAL 543.A O no hydrogen 2.878 N/A GLN 558.A NE2 THR 556.A OG1 no hydrogen 2.944 N/A ASN 560.A N ASP 541.A O no hydrogen 2.996 N/A TYR 562.A N ALA 539.A O no hydrogen 2.929 N/A TYR 562.A OH ASP 541.A OD2 no hydrogen 2.875 N/A ILE 564.A N LEU 537.A O no hydrogen 2.750 N/A GLU 567.A N GLU 666.A O no hydrogen 2.843 N/A ALA 570.A N ASN 566.A O no hydrogen 3.067 N/A ALA 571.A N GLN 568.A O no hydrogen 3.288 N/A GLN 572.A N LEU 632.A O no hydrogen 2.796 N/A GLN 572.A NE2 ASP 569.A O no hydrogen 2.792 N/A LYS 573.A NZ LYS 611.A O no hydrogen 3.433 N/A LYS 573.A NZ ASP 629.A O no hydrogen 2.697 N/A GLY 577.A N ASP 575.A OD1 no hydrogen 2.835 N/A THR 578.A N ASP 575.A O no hydrogen 2.925 N/A THR 578.A OG1 ASP 575.A O no hydrogen 2.742 N/A ILE 579.A N MET 540.A O no hydrogen 2.890 N/A ARG 580.A NE GLN 572.A OE1 no hydrogen 2.867 N/A ARG 580.A NH1 ASP 541.A OD1 no hydrogen 2.790 N/A ARG 580.A NH1 ILE 579.A O no hydrogen 2.736 N/A ARG 580.A NH2 ASP 541.A OD1 no hydrogen 3.140 N/A LEU 581.A N VAL 538.A O no hydrogen 2.799 N/A LEU 582.A N TYR 597.A O no hydrogen 2.817 N/A SER 583.A N SER 536.A O no hydrogen 2.904 N/A SER 583.A OG SER 596.A OG no hydrogen 2.778 N/A ASN 584.A N VAL 595.A O no hydrogen 2.972 N/A ASN 584.A ND2 VAL 530.A O no hydrogen 2.961 N/A ASN 586.A N ASN 584.A OD1 no hydrogen 2.746 N/A ASN 586.A ND2 ASN 534.A O no hydrogen 3.248 N/A ASN 586.A ND2 ASN 584.A OD1 no hydrogen 3.142 N/A LYS 587.A N ASN 584.A O no hydrogen 3.269 N/A LYS 587.A NZ ASP 531.A O no hydrogen 2.638 N/A ASN 589.A N ASN 593.A O no hydrogen 2.718 N/A ARG 590.A N ASP 709.A OD1 no hydrogen 2.961 N/A GLY 592.A N ASN 589.A O no hydrogen 2.872 N/A VAL 595.A N LYS 587.A O no hydrogen 3.089 N/A SER 596.A N TRP 705.A O no hydrogen 2.989 N/A SER 596.A OG SER 583.A OG no hydrogen 2.778 N/A SER 596.A OG PRO 594.A O no hydrogen 2.770 N/A TYR 597.A N LEU 582.A O no hydrogen 3.007 N/A TYR 597.A OH GLY 472.A O no hydrogen 2.754 N/A GLN 598.A N LYS 703.A O no hydrogen 2.777 N/A ILE 599.A N ARG 580.A O no hydrogen 2.785 N/A ILE 600.A N LEU 701.A O no hydrogen 2.800 N/A ALA 603.A N HIS 699.A O no hydrogen 2.739 N/A THR 606.A N TRP 697.A O no hydrogen 2.891 N/A THR 606.A OG1 GLU 696.A OE1 no hydrogen 2.646 N/A THR 606.A OG1 TRP 697.A O no hydrogen 3.366 N/A HIS 607.A NE2 GLU 689.A OE2 no hydrogen 3.048 N/A ALA 610.A N GLY 680.A O no hydrogen 3.243 N/A ALA 613.A N ASP 629.A OD1 no hydrogen 2.788 N/A GLU 619.A N ALA 616.A O no hydrogen 3.076 N/A TYR 622.A OH ASP 629.A OD2 no hydrogen 2.640 N/A HIS 623.A N GLU 619.A O no hydrogen 3.108 N/A ARG 624.A N TRP 620.A O no hydrogen 2.972 N/A ARG 624.A NE SER 652.A O no hydrogen 3.034 N/A ARG 624.A NE SER 652.A OG no hydrogen 3.083 N/A ARG 624.A NH2 SER 652.A OG no hydrogen 3.121 N/A LEU 625.A N ILE 621.A O no hydrogen 3.007 N/A SER 626.A N ASP 655.A OD2 no hydrogen 2.900 N/A SER 626.A OG ASP 655.A OD2 no hydrogen 2.786 N/A MET 628.A N LEU 625.A O no hydrogen 3.136 N/A ASP 629.A N SER 626.A O no hydrogen 3.134 N/A LYS 630.A NZ ALA 571.A O no hydrogen 3.176 N/A LEU 632.A N GLN 572.A O no hydrogen 3.030 N/A TRP 633.A N TRP 676.A O no hydrogen 3.150 N/A TRP 633.A NE1 LYS 630.A O no hydrogen 3.090 N/A THR 635.A N VAL 674.A O no hydrogen 3.041 N/A ARG 636.A N GLU 567.A OE2 no hydrogen 2.804 N/A ARG 636.A NE THR 671.A OG1 no hydrogen 2.712 N/A TYR 637.A N ASP 672.A O no hydrogen 2.892 N/A GLU 641.A N HIS 638.A O no hydrogen 3.192 N/A ARG 642.A NH1 GLU 354.A OE2 no hydrogen 3.331 N/A ARG 642.A NH1 PRO 639.A O no hydrogen 3.453 N/A ARG 642.A NH2 GLU 354.A OE1 no hydrogen 3.014 N/A ARG 642.A NH2 GLU 354.A OE2 no hydrogen 2.826 N/A PHE 643.A N TYR 661.A OH no hydrogen 3.218 N/A GLU 645.A N GLU 645.A OE1 no hydrogen 2.660 N/A GLY 646.A N PHE 643.A O no hydrogen 3.116 N/A LYS 647.A NZ GLU 159.A OE2 no hydrogen 3.034 N/A TYR 648.A OH GLU 159.A OE2 no hydrogen 2.565 N/A ASN 650.A ND2 GLY 180.A O no hydrogen 2.969 N/A ARG 651.A NE GLY 223.A O no hydrogen 3.483 N/A ARG 651.A NH1 LYS 232.A O no hydrogen 2.840 N/A ARG 651.A NH2 LEU 231.A O no hydrogen 3.549 N/A ARG 651.A NH2 LYS 232.A O no hydrogen 2.761 N/A SER 652.A N PRO 649.A O no hydrogen 3.414 N/A SER 652.A OG PRO 649.A O no hydrogen 3.352 N/A GLY 657.A N ASP 655.A OD1 no hydrogen 2.834 N/A LEU 658.A N PRO 644.A O no hydrogen 2.942 N/A GLY 659.A N ASP 655.A OD1 no hydrogen 2.759 N/A TYR 661.A N GLY 657.A O no hydrogen 2.821 N/A TYR 661.A OH PHE 643.A O no hydrogen 2.903 N/A SER 662.A N LEU 658.A O no hydrogen 3.154 N/A SER 662.A OG LEU 658.A O no hydrogen 2.864 N/A ASN 665.A N SER 662.A O no hydrogen 2.697 N/A GLU 666.A N GLU 567.A OE1 no hydrogen 2.882 N/A LEU 668.A N GLY 565.A O no hydrogen 2.851 N/A ASP 669.A N SER 667.A OG no hydrogen 3.154 N/A ASN 670.A N SER 536.A OG no hydrogen 2.792 N/A THR 671.A N ASN 535.A O no hydrogen 2.846 N/A VAL 674.A N THR 635.A O no hydrogen 2.806 N/A VAL 675.A N LEU 526.A O no hydrogen 2.889 N/A TRP 676.A N TRP 633.A O no hydrogen 2.694 N/A TRP 676.A NE1 THR 635.A OG1 no hydrogen 3.087 N/A MET 677.A N PHE 524.A O no hydrogen 2.917 N/A THR 678.A N GLN 631.A O no hydrogen 2.732 N/A THR 678.A OG1 ASN 523.A OD1 no hydrogen 2.825 N/A THR 678.A OG1 PHE 627.A O no hydrogen 2.901 N/A THR 678.A OG1 LYS 630.A O no hydrogen 3.334 N/A THR 679.A N TYR 522.A O no hydrogen 2.760 N/A THR 679.A OG1 PRO 601.A O no hydrogen 3.329 N/A THR 681.A N HIS 520.A O no hydrogen 2.752 N/A THR 682.A N PRO 608.A O no hydrogen 2.877 N/A THR 682.A OG1 GLN 519.A OE1 no hydrogen 3.361 N/A HIS 683.A N HIS 518.A O no hydrogen 2.711 N/A HIS 683.A NE2 GLU 689.A OE1 no hydrogen 2.523 N/A ARG 686.A N GLU 689.A OE1 no hydrogen 3.151 N/A ARG 686.A NE GLU 689.A OE2 no hydrogen 3.221 N/A ARG 686.A NH2 GLU 689.A OE2 no hydrogen 3.113 N/A GLU 688.A N GLU 688.A OE1 no hydrogen 2.859 N/A GLU 689.A N ARG 686.A O no hydrogen 3.038 N/A TRP 690.A N ALA 687.A O no hydrogen 3.129 N/A TRP 690.A NE1 ASP 510.A OD2 no hydrogen 2.906 N/A MET 693.A N GLY 482.A O no hydrogen 2.866 N/A GLU 696.A N ALA 480.A O no hydrogen 3.037 N/A TRP 697.A N THR 606.A OG1 no hydrogen 2.902 N/A VAL 698.A N ALA 478.A O no hydrogen 2.841 N/A HIS 699.A N GLY 604.A O no hydrogen 2.780 N/A HIS 699.A ND1 ASP 477.A OD1 no hydrogen 3.169 N/A HIS 699.A ND1 ASP 477.A OD2 no hydrogen 2.941 N/A THR 700.A N ILE 476.A O no hydrogen 3.083 N/A THR 700.A OG1 ILE 476.A O no hydrogen 2.747 N/A LEU 701.A N ILE 600.A O no hydrogen 3.020 N/A LEU 702.A N ILE 474.A O no hydrogen 2.860 N/A LYS 703.A N GLN 598.A O no hydrogen 2.944 N/A TRP 705.A N SER 596.A O no hydrogen 2.767 N/A THR 713.A OG1 GLU 432.A OE2 no hydrogen 2.994 N/A LEU 714.A N THR 711.A O no hydrogen 3.454 N/A